SCHEMBL871728

SCHEMBL871728

O=C(S)CC(=O)CN1C(=O)CCC1=O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.41
ALOX12 P18054 1/20 0.41
LMNA P02545 2/20 0.39
RAB9A P51151 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HPGD P15428 2/20 0.37
TSHR P16473 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
KDM4E B2RXH2 4/20 0.36
GAA P10253 2/20 0.36
GFER P55789 1/20 0.36
GSK3A P49840 1/20 0.34
GSK3B P49841 1/20 0.34
CDK5 Q00535 1/20 0.34
CDK5R1 Q15078 1/20 0.34
HTT P42858 1/20 0.34
ALOX15 P16050 1/20 0.33
CDK2 P24941 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6037020 0.87 SMN1; SMN2 (0.43) ALDH1A1ALOX12LMNARAB9ASMN1; SMN2
SCHEMBL10015377 0.78 SMN1; SMN2 (0.41) ALDH1A1ALOX12LMNARAB9ASMN1; SMN2
SCHEMBL871729 0.78 ALDH1A1 (0.44) ALDH1A1ALOX12LMNARAB9ASMN1; SMN2
SCHEMBL16405303 0.77 RAB9A (0.40) ALDH1A1ALOX12LMNARAB9ASMN1; SMN2
SCHEMBL16841649 0.74 TSHR (0.42) ALDH1A1ALOX12LMNARAB9ASMN1; SMN2
SCHEMBL13907969 0.74 ALDH1A1 (0.43) ALDH1A1ALOX12LMNARAB9ASMN1; SMN2
SCHEMBL13400049 0.73 ALDH1A1 (0.41) ALDH1A1ALOX12LMNARAB9ASMN1; SMN2
SCHEMBL18825259 0.72 FAAH (0.40) ALDH1A1ALOX12RAB9ASMN1; SMN2HPGD
SCHEMBL11007672 0.72 LMNA (0.42) ALDH1A1LMNARAB9ASMN1; SMN2TSHR
SCHEMBL31440989 0.72 SLC22A6 (0.42) ALDH1A1ALOX12LMNARAB9ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 93 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2478049-B1 A POLYMER SUPPORT UNIV CAPE TOWN (ZA) 2015-02-25 EP claimed
WO-2011159735-A2 TETRANOR-PGDM/PGJM SPECIFIC IMMUNOGENS, ANTIBODIES, TRACERS, ASSAY KITS AND METHODS FOR MAKING SAME CAYMAN CHEMICAL COMPANY, INCORPORATED (US) 2011-12-22 WO claimed
CN-101189519-A Biological indicator STERIS INC (US) 2008-05-28 CN claimed
US-20230026348-A1 NITROXYLATED PROTEINS AND METHODS FOR THE USE THEREOF SCHINDLER, WILLIAM 2023-01-26 US disclosed
US-11359004-B2 Succinimide-activated nitroxyl compounds and methods for the use thereof for nitroxylation of proteins Schindler, William (US) 2022-06-14 US disclosed
EP-2830638-B1 DIASPIRIN CROSSLINKED PEGYLATED HEMOGLOBIN SCHINDLER WILLIAM (US) 2021-05-05 EP disclosed
US-10357457-B2 Targeted lipid-drug formulations for delivery of drugs to myeloid and lymphoid immune cells RODOS BIOTARGET GMBH (DE) 2019-07-23 US disclosed
US-20190127445-A1 SUCCINIMIDE-ACTIVATED NITROXYL COMPOUNDS AND METHODS FOR THE USE THEREOF FOR NITROXYLATION OF PROTEINS SCHINDLER, WILLIAM 2019-05-02 US disclosed
EP-2834329-B1 SUCCINIMIDE-ACTIVATED NITROXYL COMPOUNDS AND METHODS FOR THE USE THEREOF FOR NITROXYLATION OF PROTEINS SCHINDLER WILLIAM (US) 2018-10-17 EP disclosed
US-10029001-B2 Diaspirin crosslinked pegylated hemoglobin Schindler, William (US) 2018-07-24 US disclosed
EP-2150282-B1 COMPOSITIONS AND METHODS FOR SCAFFOLD FORMATION REGENTIS BIOMATERIALS LTD (IL) 2018-04-11 EP disclosed
EP-0552280-B1 INHIBITION OF VIRAL REPLICATION VESTAR INC (US) 1995-06-28 EP disclosed
US-5419914-A Drug delivery VESTAR, INC. (US) 1995-05-30 US disclosed
US-5399331-A Drug delivery, medical diagnosis THE LIPOSOME COMPANY, INC. (US) 1995-03-21 US disclosed
EP-0555317-B1 PHOSPHOLIPID ANALOGUE VESICLE WITH A SUCCINIMIDYL MOIETY VESTAR INC (US) 1995-03-15 EP disclosed
EP-0555317-A1 PHOSPHOLIPID ANALOGUE VESICLE WITH A SUCCINIMIDYL MOIETY. VESTAR INC (US) 1993-08-18 EP disclosed
WO-1992005773-A1 PHOSPHOLIPID ANALOGUE VESICLE WITH A SUCCINIMIDYL MOIETY VESTAR, INC. (US) 1992-04-16 WO disclosed
WO-1992006192-A1 INHIBITION OF VIRAL REPLICATION VESTAR, INC. (US) 1992-04-16 WO disclosed
US-5080896-A Adjuvant Coupled to Antigen AKZO N. V. (NL) 1992-01-14 US disclosed
WO-1991000289-A2 TARGETED LIPOSOMES AND METHODS FOR LIPOSOME-PROTEIN COUPLING THE LIPOSOME COMPANY, INC. (US) 1991-01-10 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10029001-B2 Diaspirin crosslinked pegylated hemoglobin HBG2, HBG1, HBB ALDH1A1 1707/4885ALOX12 393/4885LMNA 2606/4885
US-20190127445-A1 SUCCINIMIDE-ACTIVATED NITROXYL COMPOUNDS AND METHODS FOR THE USE THEREOF FOR NITROXYLATION OF PROTEINS PPOX, QSOX1, HMOX2 ALDH1A1 2576/4885ALOX12 589/4885LMNA 1731/4885
US-20230026348-A1 NITROXYLATED PROTEINS AND METHODS FOR THE USE THEREOF PPOX, MB, HMOX2 ALDH1A1 2500/4885ALOX12 414/4885LMNA 1525/4885
US-11359004-B2 Succinimide-activated nitroxyl compounds and methods for the use thereof for nitroxylation of proteins PPOX, QSOX1, HMOX2 ALDH1A1 2576/4885ALOX12 589/4885LMNA 1731/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.